Crystallography Open Database

Information card for entry 4073964

Preview

Coordinates	4073964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Mo0.5 O5 P
Calculated formula	C20 H15 Mo0.5 O5 P
Title of publication	What is the Real Steric Impact of Triphenylphosphite? Solid-State and Solution Structural Studies ofcis- andtrans-Isomers of M(CO)4[P(OPh)3]2(M = Mo and W)
Authors of publication	Darensbourg, Donald J.; Andreatta, Jeremy R.; Stranahan, Sarah M.; Reibenspies, Joseph H.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6832
a	8.484 Å
b	9.623 Å
c	12.11 Å
α	74.83°
β	75°
γ	76.93°
Cell volume	908.309 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4073964.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073964.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073964.cif
46649	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073964 via cif-deposit CGI script.	4073964.cif